[Pw_forum] spin-orbit coupling

Davide Ceresoli ceresoli at sissa.it
Tue Feb 6 17:41:55 CET 2007


Prithwish Nandi wrote:
>  
>  Hi, can you please tell me whether is it possible to take care of
> spin-orbit coupling using PWSCF?
> If yes, how???
> 

 From Doc/INPUT_PW:

lspinorb       LOGICAL
                if .TRUE. the noncollinear code can use a pseudopotential with
                spin-orbit.

... but you must use a special kind of pseudopotentials.





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